Maslinic Acid (C30H48O4)

Maslinic Acid bmse001325 - Data

View large 3D structure

BMRB entry bmse001325

Entry DOI: doi:10.13018/BMSE001325
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001325.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse001325.mol

All files for

bmse001325

Time Domain Data:

bmse001325.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C116.33594
C223.38394
C317.15684
C428.8114
C532.85291
C616.87364
C725.65434
C8121.44391
C922.99971
C1018.06444
C1132.30134
C1232.09264
C1322.57424
C1433.30164
C1527.15914
C1645.43841
C1745.66551
C18143.9181
C1940.77091
C2067.11831
C2154.73711
C2246.84551
C2382.20321
C24178.62651
C2530.43671
C2638.89971
C2737.65751
C2840.0874
C2941.34144
C3047.06011
H350.86834
H360.86834
H370.86834
H380.88974
H390.88974
H400.88974
H410.68494
H420.68494
H430.68494
H440.91424
H450.91424
H460.91424
H470.87411
H480.87411
H490.87411
H500.70324
H510.70324
H520.70324
H531.08854
H541.08854
H551.08854
H565.16561
H571.81311
H581.81311
H591.22974
H601.32394
H611.33424
H621.45234
H631.12934
H641.31544
H650.98154
H661.46454
H671.424
H681.59564
H691.62964
H701.90794
H711.04892
H721.60322
H730.75922
H741.73812
H752.7291
H763.40991
H770.74921
H781.52331
H792.73251

NMR experiments

1: 1D 1H
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001325_1.zip

2: 2D 1H-1H TOCSY
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #2: 2D 1H-1H TOCSY
Download time domain data: bmse001325_2.zip

3: 1D 13C
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001325_3.zip

4: 1D DEPT90
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001325_4.zip

5: 1D DEPT135
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001325_5.zip

6: 2D 1H-13C HSQC
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #6: 2D 1H-13C HSQC
Download time domain data: bmse001325_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001325_7.zip

8: 2D 1H-13C HMBC
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #8: 2D 1H-13C HMBC
Download time domain data: bmse001325_8.zip

9: 2D 1H-1H COSY
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #9: 2D 1H-1H COSY
Download time domain data: bmse001325_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #10: 2D 1H-13C HSQC-TOCSY-ADIA
Download time domain data: bmse001325_10.zip